SCHEMBL117958

SCHEMBL117958

CC1C(=S)Nc2ccc(Cl)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.46
PGR P06401 1/20 0.45
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
SLC8B1 Q6J4K2 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9833920 0.78 PGR (0.42) PGRHTR2AHTR2C
SCHEMBL948578 0.78 PGR (0.69) PGRMAPTTP53CYP1A2CYP2C9
SCHEMBL24112733 0.78 PGR (0.69) PGRMAPTTP53CYP1A2CYP2C9
SCHEMBL11366496 0.75 MAOA (0.44) CHRM1MAPTTP53HTR2AHTR2C
SCHEMBL11526416 0.74 CHRM1 (0.43) CHRM1MAPTHTR2AHTR2CHTR2B
SCHEMBL5873718 0.72 EGFR (0.47) CHRM1
SCHEMBL10969953 0.71 CHRM1 (0.43) CHRM1
SCHEMBL21284261 0.70 CHRM1 (0.46) CHRM1
SCHEMBL11657761 0.69 CHRM1 (0.42) CHRM1HTR2AHTR2CHTR2BADRB1
SCHEMBL12693588 0.69 PGR (0.44) PGRMAPTTP53CYP1A2CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242934-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2016-01-26 US disclosed
EP-2424835-B1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES BAYER IP GMBH (DE) 2015-07-01 EP disclosed
CN-102459163-B Process for the preparation of oxindoles and ortho-substituted anilines and their use as synthesis intermediates BAYER CROPSCIENCE AG 2015-05-13 CN disclosed
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2013-10-24 US disclosed
US-8492590-B2 Process for the preparation of oxindoles and ortho-substituted anilines and their use as intermediates for syntheses BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
WO-2012028162-A1 PROCESS FOR PREPARING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-2424835-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2011-05-19 US disclosed
WO-2010127786-A1 METHOD FOR PRODUCING OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THE USE THEREOF AS INTERMEDIATE PRODUCTS FOR SYNTHESES BAYER CROPSCIENCE AG (DE) 2010-11-11 WO disclosed
EP-2246326-A1 Method for producing oxindoles and ortho-substituted anilines and their use as intermediate products for syntheses Bayer CropScience AG (DE) 2010-11-03 EP disclosed
US-4252723-A Air oxidation of oxindoles to isatins REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1981-02-24 US disclosed
US-4188325-A Isatin process and products REGENTS OF UNIVERSITY OF MINNESOTA (US) 1980-02-12 US disclosed
US-4186132-A Isatin products THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1980-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118478-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 CHRM1 282/4885PGR 3083/4885MAPT 1762/4885
US-20130281711-A1 PROCESS FOR THE PREPARATION OF OXINDOLES AND ORTHO-SUBSTITUTED ANILINES AND THEIR USE AS INTERMEDIATES FOR SYNTHESES TH, OXSR1, AOX1 CHRM1 282/4885PGR 3083/4885MAPT 1762/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.